General Information of the Compound
| Compound ID |
CP0403808
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| Compound Name |
(R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy-benzylcarbamoyl)-ethylcarbamoyl]-thiazolidine-3-carboxylic acid isobutyl ester
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| Structure |
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| Formula |
C32H43N3O5S2
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| Molecular Weight |
613.846
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| Canonical SMILES |
CC(C)COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C32H43N3O5S2/c1-23(2)18-39-32(38)35-22-42-21-29(35)31(37)34-28(20-41-19-25-9-5-3-6-10-25)30(36)33-17-24-13-15-27(16-14-24)40-26-11-7-4-8-12-26/h4,7-8,11-16,23,25,28-29H,3,5-6,9-10,17-22H2,1-2H3,(H,33,36)(H,34,37)/t28-,29-/m0/s1
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| InChIKey |
OWZASFXHYRZCBP-VMPREFPWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound